1,3,5-tris(6-isocyanatohexyl)-2-oxidanylidene-1,2,3-triazinan-2-ium-4,6-dione

Systemtic Name: 1,3,5-tris(6-isocyanatohexyl)-2-oxidanylidene-1,2,3-triazinan-2-ium-4,6-dione Openeye Name: 1,3,5-tris(6-isocyanatohexyl)-2-oxo-triazinan-2-ium-4,6-dione CAS Name: 1,3,5-tris(6-isocyanatohexyl)-2-oxotriazinan-2-ium-4,6-dione IUPAC Name: 1,3,5-tris(6-isocyanatohexyl)-2-oxotriazinan-2-ium-4,6-dione Traditional Name: 1,3,5-tris(6-isocyanatohexyl)-2-keto-triazinan-2-ium-4,6-quinone Formula: C24H37N6O6+ MolecularWeight: 505.58718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCCN=C=O)CCC1C(=O)N([N+](=O)N(C1=O)CCCCCCN=C=O)CCCCCCN=C=O

Isomeric SMILES

C(CCCN=C=O)CCC1C(=O)N([N+](=O)N(C1=O)CCCCCCN=C=O)CCCCCCN=C=O

InChI

InChI=1S/C24H37N6O6/c31-19-25-14-8-2-1-7-13-22-23(34)28(17-11-5-3-9-15-26-20-32)30(36)29(24(22)35)18-12-6-4-10-16-27-21-33/h22H,1-18H2/q+1